CID 137944677

[2-(trifluoromethyl)oxan-2-yl]methanol

Structural Information

Molecular Formula
C7H11F3O2
SMILES
C1CCOC(C1)(CO)C(F)(F)F
InChI
InChI=1S/C7H11F3O2/c8-7(9,10)6(5-11)3-1-2-4-12-6/h11H,1-5H2
InChIKey
WRKWJTMXCWVERQ-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)oxan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07112 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.078396 135.1
[M+Na]+ 207.060338 141.4
[M-H]- 183.063844 133.7
[M+NH4]+ 202.104943 154.7
[M+K]+ 223.034278 141.2
[M+H-H2O]+ 167.068380 128.6
[M+HCOO]- 229.069321 149.3
[M+CH3COO]- 243.084971 175.2
[M+Na-2H]- 205.045786 142.1
[M]+ 184.07057142 127.8
[M]- 184.07166858 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.